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	hartrees
Energy at 0K	-305.842604
Energy at 298.15K
HF Energy	-304.735335
Nuclear repulsion energy	242.069639

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3225	3031	4.59
2	A	3215	3022	9.32
3	A	3202	3009	11.71
4	A	3147	2958	11.21
5	A	3135	2946	3.28
6	A	3118	2930	33.61
7	A	1890	1776	310.34
8	A	1560	1466	0.68
9	A	1528	1436	5.65
10	A	1494	1404	8.24
11	A	1422	1337	16.58
12	A	1370	1288	2.87
13	A	1333	1252	10.89
14	A	1297	1219	7.82
15	A	1245	1170	28.87
16	A	1226	1152	2.40
17	A	1200	1128	186.40
18	A	1122	1054	24.55
19	A	1106	1040	51.17
20	A	1034	972	18.74
21	A	976	917	3.41
22	A	920	865	10.29
23	A	900	846	14.85
24	A	829	779	5.23
25	A	691	650	4.28
26	A	648	609	3.24
27	A	537	505	2.17
28	A	496	466	3.42
29	A	233	219	2.40
30	A	154	145	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.878	-0.002	0.006
C2	-0.035	1.193	0.192
C3	-1.384	0.660	-0.255
C4	-1.256	-0.803	0.147
O5	0.122	-1.130	-0.050
O6	2.072	-0.023	-0.081
H7	0.345	2.046	-0.362
H8	-0.036	1.446	1.254
H9	-1.483	0.739	-1.337
H10	-2.237	1.147	0.211
H11	-1.847	-1.485	-0.460
H12	-1.508	-0.952	1.199

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5150	2.3714	2.2841	1.3597	1.1968	2.1475	2.1190	2.8155	3.3262	3.1375	2.8319
C2	1.5150		1.5182	2.3406	2.3412	2.4475	1.0859	1.0918	2.1545	2.2024	3.2985	2.7903
C3	2.3714	1.5182		1.5228	2.3485	3.5269	2.2189	2.1714	1.0891	1.0872	2.2035	2.1747
C4	2.2841	2.3406	1.5228		1.4301	3.4255	3.3077	2.7887	2.1522	2.1841	1.0871	1.0922
O5	1.3597	2.3412	2.3485	1.4301		2.2422	3.1993	2.8925	2.7796	3.2893	2.0423	2.0614
O6	1.1968	2.4475	3.5269	3.4255	2.2422		2.7093	2.8954	3.8463	4.4739	4.1996	3.9133
H7	2.1475	1.0859	2.2189	3.3077	3.1993	2.7093		1.7653	2.4497	2.7932	4.1571	3.8549
H8	2.1190	1.0918	2.1714	2.7887	2.8925	2.8954	1.7653		3.0510	2.4537	3.8485	2.8149
H9	2.8155	2.1545	1.0891	2.1522	2.7796	3.8463	2.4497	3.0510		1.7696	2.4181	3.0484
H10	3.3262	2.2024	1.0872	2.1841	3.2893	4.4739	2.7932	2.4537	1.7696		2.7440	2.4322
H11	3.1375	3.2985	2.2035	1.0871	2.0423	4.1996	4.1571	3.8485	2.4181	2.7440		1.7751
H12	2.8319	2.7903	2.1747	1.0922	2.0614	3.9133	3.8549	2.8149	3.0484	2.4322	1.7751

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	102.854	C1	C2	H7	110.228
C1	C2	H8	107.648	C1	O5	C4	109.894
C2	C1	O5	108.941	C2	C1	O6	128.609
C2	C3	C4	100.652	C2	C3	H9	110.358
C2	C3	H10	114.394	C3	C2	H7	115.880
C3	C2	H8	111.555	C3	C4	O5	105.328
C3	C4	H11	114.158	C3	C4	H12	111.475
C4	C3	H9	109.859	C4	C3	H10	112.548
O5	C1	O6	122.450	O5	C4	H11	107.677
O5	C4	H12	108.889	H7	C2	H8	108.320
H9	C3	H10	108.805	H11	C4	H12	109.079

All results from a given calculation for C₄H₆O₂ (γ–Butyrolactone)

using model chemistry: MP2=FULL/6-31G(2df,p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C4H6O2 (γ–Butyrolactone)

using model chemistry: MP2=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₆O₂ (γ–Butyrolactone)